[4-(2-methyloctoxycarbonyl)phenyl] 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)benzoate

Systemtic Name: [4-(2-methyloctoxycarbonyl)phenyl] 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)benzoate Openeye Name: [4-(2-methyloctoxycarbonyl)phenyl] 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)benzoate CAS Name: 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)benzoic acid [4-[2-methyloctoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-methyloctoxycarbonyl)phenyl] 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)benzoate Traditional Name: 4-(5-lauryl-1,3,2-dioxaborinan-2-yl)benzoic acid [4-(2-methyloctoxycarbonyl)phenyl] ester Formula: C38H57BO6 MolecularWeight: 620.66658

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)CCCCCCCCCCCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)CCCCCC

Isomeric SMILES

B1(OCC(CO1)CCCCCCCCCCCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)CCCCCC

InChI

InChI=1S/C38H57BO6/c1-4-6-8-10-11-12-13-14-15-17-19-32-29-43-39(44-30-32)35-24-20-34(21-25-35)38(41)45-36-26-22-33(23-27-36)37(40)42-28-31(3)18-16-9-7-5-2/h20-27,31-32H,4-19,28-30H2,1-3H3